8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline

C49H30N4 — CID 146648566

IUPAC8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5cccnc45)cc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C49H30N4/c1-2-13-33(14-3-1)46-51-47(34-28-26-31(27-29-34)35-20-10-15-32-16-12-30-50-45(32)35)53-48(52-46)39-21-11-25-43-44(39)38-19-6-9-24-42(38)49(43)40-22-7-4-17-36(40)37-18-5-8-23-41(37)49/h1-30H
InChIKeyBPVHZGBKNMWGTE-UHFFFAOYSA-N
MW674.81 g/mol
LogP11.43
Rot. Bonds4

About 8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline

8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline (PubChem CID 146648566) has the molecular formula C49H30N4 and a molecular weight of 674.81 g/mol. Its IUPAC name is 8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline.

Molecular Properties

Compound Name8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
PubChem CID146648566
Molecular FormulaC49H30N4
Molecular Weight674.81 g/mol
Exact Mass674.25
IUPAC Name8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
SMILESc1ccc(-c2nc(-c3ccc(-c4cccc5cccnc45)cc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1
InChIInChI=1S/C49H30N4/c1-2-13-33(14-3-1)46-51-47(34-28-26-31(27-29-34)35-20-10-15-32-16-12-30-50-45(32)35)53-48(52-46)39-21-11-25-43-44(39)38-19-6-9-24-42(38)49(43)40-22-7-4-17-36(40)37-18-5-8-23-41(37)49/h1-30H
InChIKeyBPVHZGBKNMWGTE-UHFFFAOYSA-N
XLogP11.43
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500674.81
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-[4-[4-phenyl-6-[6-(9,9'-spirobi[fluorene]-4'-yl)naphthalen-2-yl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146648989
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-2-yl)-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146649010
8-[4-[4-phenyl-6-[3-(9,9'-spirobi[fluorene]-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 167359606
8-[4-[4-phenyl-6-[4-(9,9'-spirobi[fluorene]-1-yl)naphthalen-1-yl]-1,3,5-triazin-2-yl]phenyl]quinoline
CID 146648983
8-[5'-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547205
2-(4-phenylphenyl)-4-(4-pyridin-4-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146633327
8-[4-(4-phenyl-6-spiro[fluorene-9,9'-xanthene]-3'-yl-1,3,5-triazin-2-yl)phenyl]quinoline
CID 137388424
8-[4-[8-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]naphthalen-1-yl]phenyl]quinoline
CID 121402277
2-phenyl-4-(4-pyridin-2-ylphenyl)-6-[4-(9,9'-spirobi[fluorene]-4'-yl)phenyl]-1,3,5-triazine
CID 146632572
2-phenyl-4-(4-pyridin-3-ylphenyl)-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazine
CID 146632054
8-[5'-[4-phenyl-6-(4-phenylphenyl)-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-thioxanthene]-4'-yl]quinoline
CID 164793271
8-[5'-[4-phenyl-6-[4-(4-phenylphenyl)phenyl]-1,3,5-triazin-2-yl]spiro[fluorene-9,9'-xanthene]-4'-yl]quinoline
CID 146547203

Frequently Asked Questions

What is the IUPAC name of 8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The IUPAC name of 8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline (CID 146648566) is 8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline.
What is the SMILES notation for 8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The canonical SMILES for 8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline is c1ccc(-c2nc(-c3ccc(-c4cccc5cccnc45)cc3)nc(-c3cccc4c3-c3ccccc3C43c4ccccc4-c4ccccc43)n2)cc1.
What is the InChIKey of 8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline?
The InChIKey is BPVHZGBKNMWGTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H30N4/c1-2-13-33(14-3-1)46-51-47(34-28-26-31(27-29-34)35-20-10-15-32-16-12-30-50-45(32)35)53-48(52-46)39-21-11-25-43-44(39)38-19-6-9-24-42(38)49(43)40-22-7-4-17-36(40)37-18-5-8-23-41(37)49/h1-30H.
What are the key properties of 8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline?
8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline has a molecular weight of 674.81 g/mol, XLogP of 11.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-[4-phenyl-6-(9,9'-spirobi[fluorene]-4'-yl)-1,3,5-triazin-2-yl]phenyl]quinoline is sourced from PubChem (CID 146648566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).